CID 5003685

Tributylheptylammonium bromide

Structural Information

Molecular Formula

C₁₉H₄₂N

SMILES

CCCCCCC[N+](CCCC)(CCCC)CCCC

InChI

InChI=1S/C19H42N/c1-5-9-13-14-15-19-20(16-10-6-2,17-11-7-3)18-12-8-4/h5-19H2,1-4H3/q+1

InChIKey

AQQOUVLRCMEMHI-UHFFFAOYSA-N

Compound name

tributyl(heptyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 408
Patents: 284.33173 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.339006	180.0
[M+Na]+	307.320948	182.0
[M-H]-	283.324454	179.8
[M+NH4]+	302.365553	196.8
[M+K]+	323.294888	174.0
[M+H-H2O]+	267.328990	176.3
[M+HCOO]-	329.329931	200.1
[M+CH3COO]-	343.345581	208.3
[M+Na-2H]-	305.306396	183.9
[M]+	284.33118142	185.2
[M]-	284.33227858	185.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe